Trimetrexate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 34
Total Number of Articles : 66
PubChem 5583
Molecular Formula

C19H23N5O3

SMILES

CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)

synonyms
  • trimetrexate
  • 52128-35-5
  • CI-898
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Properties
Property Value
MW 369.4 g/mol
HBD 3
HBA 8
Rotatable Bond Count 6
Exact Mass 369.18008961 g/mol
Monoisotopic Mass 369.18008961 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 457
xlogp 2.5
Topological Polar Surface Area 118